N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C21H21F3N2O2 — CID 46426387

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)coc2c1C
InChIInChI=1S/C21H21F3N2O2/c1-12-5-7-16-14(11-28-20(16)13(12)2)9-19(27)25-18-8-6-15(26(3)4)10-17(18)21(22,23)24/h5-8,10-11H,9H2,1-4H3,(H,25,27)
InChIKeyCNQQDFXVRAHAGR-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.32
Rot. Bonds4

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 46426387) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID46426387
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)coc2c1C
InChIInChI=1S/C21H21F3N2O2/c1-12-5-7-16-14(11-28-20(16)13(12)2)9-19(27)25-18-8-6-15(26(3)4)10-17(18)21(22,23)24/h5-8,10-11H,9H2,1-4H3,(H,25,27)
InChIKeyCNQQDFXVRAHAGR-UHFFFAOYSA-N
XLogP5.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
CID 46426398
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-(3-chloro-2-fluorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 9146411
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984198
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666812
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 1243073
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112761780
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771768

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 46426387) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)coc2c1C.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is CNQQDFXVRAHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-12-5-7-16-14(11-28-20(16)13(12)2)9-19(27)25-18-8-6-15(26(3)4)10-17(18)21(22,23)24/h5-8,10-11H,9H2,1-4H3,(H,25,27).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 390.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 46426387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).